Synthesis, spectroscopic analysis and theoretical study of new pyrrole-isoxazoline derivatives
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- 作者：Poonam Rawat ; R.N. Singh ; rnsvk.chemistry@gmail.com ; Vikas Baboo ; Priydarshni Niranjan ; Himanshu Rani ; Rajat Saxena ; Sartaj Ahmad
- 关键词：Pyrrole-isoxazolines ; 1H NMR ; UV&ndash ; Visible ; FT-IR ; NLO
- 刊名：Journal of Molecular Structure
- 出版年：2017
- 出版时间：5 February 2017
- 年：2017
- 卷：1129
- 期：Complete
- 页码：37-49
- 全文大小：2921 K
- 卷排序：1129
文摘
Experimental spectral data agree well with the theoretical findings. The UV–Vis spectra of (4a-d) show π→π∗ and n→π* electronic transitions. The β0 values (7.40–9.05 × 10−30 esu) indicate the suitability of (4a-d) compounds NLO response. The binding energy of (4a-d) compounds are found in the range of 10.10–11.19 kcal/mol.